SCHEMBL9655167

SCHEMBL9655167

CCCCSSCCN=NNc1ccc(C)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.34
SCN2A Q99250 1/20 0.34
KYAT1 Q16773 1/20 0.34
MAPT P10636 7/20 0.32
NPC1 O15118 6/20 0.32
RAB9A P51151 6/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
HPGD P15428 3/20 0.32
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
HTT P42858 3/20 0.32
TSHR P16473 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9655165 1.00 SCN5A (0.34) SCN5ASCN2AKYAT1MAPTNPC1
SCHEMBL1887617 0.85 SCN5A (0.40) SCN5ASCN2AKYAT1MAPTNPC1
SCHEMBL7343923 0.85 SCN5A (0.40) SCN5ASCN2AKYAT1MAPTNPC1
SCHEMBL1278627 0.80 MAPT (0.40) SCN5ASCN2AKYAT1MAPTNPC1
SCHEMBL1278625 0.80 MAPT (0.40) SCN5ASCN2AKYAT1MAPTNPC1
SCHEMBL10840042 0.80 MAPT (0.40) SCN5ASCN2AKYAT1MAPTNPC1
SCHEMBL9656203 0.78 METAP2 (0.33) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL9656197 0.78 METAP2 (0.33) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL9655492 0.77 HTT (0.38) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL9655498 0.77 HTT (0.38) MAPTNPC1RAB9ASMN1; SMN2HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5099016-A Mitomycin analogs containing 7-alkoxy groups and disulfides as antibiotics BRISTOL-MYERS COMPANY (US) 1992-03-24 US disclosed
US-5097036-A Mitomycin analogs; antibiotics antitumor agents BRISTOL-MYERS COMPANY (US) 1992-03-17 US disclosed
US-4927943-A ANTITUMOR AGENTS BRISTOL-MYERS COMPANY (US) 1990-05-22 US disclosed
US-4814445-A ETHERIFICATION, ANTIBIOTICS BRISTOL-MYERS COMPANY (US) 1989-03-21 US disclosed